2,5-DIMETHOXYBENZYL ALCOHOL(33524-31-1) ¹³C NMR

Product Name2,5-DIMETHOXYBENZYL ALCOHOL

CAS 33524-31-1

Molecular FormulaC9H12O3

Molecular Weight168.19

InChIInChI=1S/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3

InChIKey WGQMUABRZGUAOS-UHFFFAOYSA-N

SmilesC1(CO)=CC(OC)=CC=C1OC

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Mass

MS-NW-5890          
2,5-dimethoxybenzyl alcohol
C9H12O3             (Mass of molecular ion:    168)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Direct, 75 eV

      15.0       3.7
      18.0       1.1
      26.0       1.3
      27.0       2.8
      28.0       2.2
      29.0       2.5
      31.0       1.9
      38.0       1.7
      39.0       7.1
      40.0       1.2
      41.0       4.1
      43.0       1.7
      50.0       2.8
      51.0       5.6
      52.0       2.5
      53.0       4.5
      54.0       1.8
      55.0       6.3
      59.0       1.5
      62.0       1.7
      63.0       4.7
      64.0       3.1
      65.0      17.4
      66.0       3.1
      67.0       2.7
      69.0       1.1
      74.0       1.1
      75.0       1.0
      76.0       1.2
      76.5       2.0
      77.0      10.2
      78.0       2.7
      79.0       3.1
      81.0       3.1
      82.0       4.5
      91.0       2.4
      92.0       4.6
      93.0       8.1
      94.0       4.8
      95.0       2.1
      96.0       1.0
      97.0       2.1
     106.0       1.2
     107.0       7.8
     108.0       4.0
     109.0       5.2
     110.0      11.8
     111.0       1.1
     121.0       6.0
     122.0       1.8
     123.0       2.6
     124.0       3.8
     125.0      36.8
     126.0       3.1
     135.0      15.4
     136.0       6.0
     137.0       9.0
     138.0       2.0
     139.0      16.0
     140.0       1.6
     151.0       5.5
     152.0       5.4
     153.0      17.3
     154.0       1.6
     166.0       1.1
     167.0       2.8
     168.0     100.0
     169.0      10.3
     170.0       1.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₂ O₃	0.05 ml : 0.5 ml CDCl₃
2,5-dimethoxybenzyl alcohol

    Assign.     Shift(ppm)

      A             6.89
      B             6.74
      C             4.606
      D     *1      3.742
      E     *1      3.713
      F             3.06

     Hz     ppm     Int.

   2753.42   6.890    175
   2701.29   6.760     31
   2693.85   6.741    495
   2692.38   6.737    330
   2682.74   6.713     23
   1841.31   4.608    573
   1495.61   3.743   1000
   1484.01   3.714    995
   1224.00   3.063     77

in CDCl3